4,4a,5,6-Tetrahydro-7-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one
Basic information
- CAS
93840-79-0- Standard SMILES
CC(C)C1=CC2=CC(=O)CC(C)C2(C)CC1- InChIKey
ZMOKITSGSADCRZ-UHFFFAOYSA-N- Molecular formula
- C15H22O
- Average molar mass
- 218.33 g/mol
- Monoisotopic mass
- 218.16706532
Names & identifiers
- Preferred name
- 4,4a,5,6-Tetrahydro-7-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one
- IUPAC
- 4,4a-dimethyl-7-propan-2-yl-3,4,5,6-tetrahydronaphthalen-2-one
- English name
- 4,4a,5,6-tetrahydro-7-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one
- Molecular formula
- C15H22O
- Molecular weight
- 218.33458
Names & synonyms
EINECS 298-945-993840-79-04,4a,5,6-Tetrahydro-7-isopropyl-4,4a-dimethylnaphthalene-2(3H)-oneDTXSID60917589ZMOKITSGSADCRZ-UHFFFAOYSA-NNS000635534,4a-Dimethyl-7-(propan-2-yl)-4,4a,5,6-tetrahydronaphthalen-2(3H)-one4,4a,5,6-Tetrahydro-7-isopropyl-4,4a-dimethylnaphthalen-2(3H)-one
Database identifiers
- CAS
93840-79-0- PubChem CID
- 5744151
- DTXSID
DTXSID60917589- EC Number
- 298-945-9
- Nikkaji
- J317.667C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 373
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